Geometry & MOs

Info

ID:	493
PubChem CID:	2863
Reduced:	O6C23H30 (1)
Stoich.:	A6B23C30 (1)
Weight, g/mol:	402.204239
ΔH_f, kcal/mol:	-273.02
Dipole, Da:	7.91
IP(EA), eV:	-9.65(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(17-hydroxy-10,13-dimethyl-3,11-dioxo-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl)-2-oxoethyl] acetate

Drug info:

PubChemData

Smile

CC(=O)OCC(=O)C1(CCC2C1(CC(=O)C3C2CCC4=CC(=O)CCC34C)C)O

DOS

IR

Vibrations